Theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives

H. Nagashima; H. Inoue; N. Yoshioka

doi:10.1016/S0379-6779(02)00972-4

Theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives

H. Nagashima
, H. Inoue
, N. Yoshioka

応用化学科

研究成果: Conference article › 査読

2 被引用数 (Scopus)

抄録

A theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives was presented. The theoretical calculations carried out for their dimeric coordinates were obtained from x-ray analysis and magnetic interaction pathways were investigated. It was found that the calculated coupling constant values for both full and simplified dimers reproduced experimental results satisfactorily, showing that direct SOMO-SOMO interaction mainly contributed to the magnetic interaction pathways.

本文言語	English
ページ（範囲）	1257-1258
ページ数	2
ジャーナル	Synthetic Metals
巻	137
号	1-3
DOI	https://doi.org/10.1016/S0379-6779(02)00972-4
出版ステータス	Published - 2003 4月 4
イベント	ICSM 2002 - Shanghai, China 継続期間: 2002 6月 29 → 2002 7月 5

ASJC Scopus subject areas

電子材料、光学材料、および磁性材料
凝縮系物理学
材料力学
機械工学
金属および合金
材料化学

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10.1016/S0379-6779(02)00972-4

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@article{d27115866b0243d6858fcaa3f9847944,

title = "Theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives",

abstract = "A theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives was presented. The theoretical calculations carried out for their dimeric coordinates were obtained from x-ray analysis and magnetic interaction pathways were investigated. It was found that the calculated coupling constant values for both full and simplified dimers reproduced experimental results satisfactorily, showing that direct SOMO-SOMO interaction mainly contributed to the magnetic interaction pathways.",

keywords = "Benzimidzole, Density functional calculation, Imidazole, Magnetic measurements, Nitronyl nitroxide, X-ray diffraction",

author = "H. Nagashima and H. Inoue and N. Yoshioka",

year = "2003",

month = apr,

day = "4",

doi = "10.1016/S0379-6779(02)00972-4",

language = "English",

volume = "137",

pages = "1257--1258",

journal = "Synthetic Metals",

issn = "0379-6779",

publisher = "Elsevier B.V.",

number = "1-3",

note = "ICSM 2002 ; Conference date: 29-06-2002 Through 05-07-2002",

}

TY - JOUR

T1 - Theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives

AU - Nagashima, H.

AU - Inoue, H.

AU - Yoshioka, N.

PY - 2003/4/4

Y1 - 2003/4/4

N2 - A theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives was presented. The theoretical calculations carried out for their dimeric coordinates were obtained from x-ray analysis and magnetic interaction pathways were investigated. It was found that the calculated coupling constant values for both full and simplified dimers reproduced experimental results satisfactorily, showing that direct SOMO-SOMO interaction mainly contributed to the magnetic interaction pathways.

AB - A theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives was presented. The theoretical calculations carried out for their dimeric coordinates were obtained from x-ray analysis and magnetic interaction pathways were investigated. It was found that the calculated coupling constant values for both full and simplified dimers reproduced experimental results satisfactorily, showing that direct SOMO-SOMO interaction mainly contributed to the magnetic interaction pathways.

KW - Benzimidzole

KW - Density functional calculation

KW - Imidazole

KW - Magnetic measurements

KW - Nitronyl nitroxide

KW - X-ray diffraction

UR - https://www.scopus.com/pages/publications/0037419391

UR - https://www.scopus.com/pages/publications/0037419391#tab=citedBy

U2 - 10.1016/S0379-6779(02)00972-4

DO - 10.1016/S0379-6779(02)00972-4

M3 - Conference article

AN - SCOPUS:0037419391

SN - 0379-6779

VL - 137

SP - 1257

EP - 1258

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

T2 - ICSM 2002

Y2 - 29 June 2002 through 5 July 2002

ER -

Theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives

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